1,4-dioxa-7-azaspiro[4.4]nonane

C6H11NO2 — CID 15165039

IUPAC1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC1CC2(CN1)OCCO2
InChIInChI=1S/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2
InChIKeyJTOUWLZSXWMCSH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.28
Rot. Bonds

About 1,4-dioxa-7-azaspiro[4.4]nonane

1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 15165039) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID15165039
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC1CC2(CN1)OCCO2
InChIInChI=1S/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2
InChIKeyJTOUWLZSXWMCSH-UHFFFAOYSA-N
XLogP-0.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonane (CID 15165039) is 1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 1,4-dioxa-7-azaspiro[4.4]nonane is C1CC2(CN1)OCCO2.
What is the InChIKey of 1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is JTOUWLZSXWMCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2.
What are the key properties of 1,4-dioxa-7-azaspiro[4.4]nonane?
1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 129.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 15165039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).